SCHEMBL24933475

SCHEMBL24933475

CN(C)C(=O)c1ccc(COc2ccc(-c3cc(C(N)=O)c(=O)[nH]c3CF)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 6/20 0.42
PARP1 P09874 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MAOB P27338 5/20 0.41
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 1/20 0.39
GSTP1 P09211 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24933474 0.86 MAOB (0.45) PARP10PARP1HDAC3HDAC4HDAC1
SCHEMBL24933459 0.79 MAOB (0.40) PARP10PARP1HDAC3HDAC4HDAC1
SCHEMBL24932919 0.76 GYS1 (0.45) PARP10MAOBNPC1ALDH1A1LMNA
SCHEMBL30240739 0.76 GYS1 (0.45) PARP10MAOBNPC1ALDH1A1LMNA
SCHEMBL24933210 0.73 MAOB (0.47) PARP10PARP1HDAC3HDAC4HDAC1
SCHEMBL24933637 0.73 MAOB (0.44) PARP10PARP1HDAC3HDAC4HDAC1
SCHEMBL24933671 0.71 MAOB (0.56) MAOB
SCHEMBL24933352 0.70 MAOB (0.42) PARP10PARP1HDAC3HDAC4HDAC1
SCHEMBL24933349 0.70 GSTP1 (0.50) PARP10MAOBGSTP1CHEK2SIRT2
SCHEMBL24933351 0.70 MAOB (0.41) PARP10PARP1HDAC3HDAC4HDAC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023002443-A1 SUBSTITUTED PYRIDONE COMPOUNDS USEFUL TO TREAT ORTHOMYXOVIRUS INFECTIONS NOVARTIS AG (CH) 2023-01-26 WO disclosed